SCHEMBL307763

SCHEMBL307763

Cc1ccc2c(=O)n(CCN(C)C(=O)O)ccc2c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.35
PARP1 P09874 1/20 0.34
GAA P10253 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 2/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
TACR1 P25103 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HPGD P15428 1/20 0.31
HCAR3 P49019 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL307484 0.85 AURKA (0.33) ALDH1A1MAPTTSHRPOLBTP53
SCHEMBL27776459 0.81 LMNA (0.41) ALDH1A1MAPTTSHRPARP1GAA
SCHEMBL305522 0.81 PARP1 (0.42) PARP1POLBGRM2TP53LMNA
SCHEMBL27776457 0.77 GLA (0.42) ALDH1A1MAPTTSHRPARP1GAA
SCHEMBL17690513 0.74 BRD4 (0.37) ALDH1A1MAPTGAAPOLBTP53
SCHEMBL1590467 0.72 PARP1 (0.66) ALDH1A1PARP1GRM2LMNAHPGD
SCHEMBL305691 0.68 P2RX7 (0.43) ALDH1A1TSHRGAAPOLBHTT
SCHEMBL305725 0.68 P2RX7 (0.43) ALDH1A1TSHRGAAPOLBHTT
SCHEMBL17263930 0.67 TSHR (0.64) ALDH1A1TSHRMEN1KMT2ATDP1
SCHEMBL306305 0.67 P2RX7 (0.42) ALDH1A1MAPTPARP1GAAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ALDH1A1 3335/4885MAPT 4416/4885TSHR 3650/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.